2019 Meeting DrugDiscovery.NET 2021 Meeting

In Silico Toxicology Network Meeting 2020

30 September 2020, 10am-5.30pm (UK time)

On Zoom this year, free to attend, and open to all
(max 300 participants)
Registration closed (capacity reached) as of 7/8 August.
Hashtag: #tox2020

An event (with free registration) to foster the In silico Toxicology Community in the UK and beyond. Scientific contributions are welcome as are those on ongoing work, regulatory aspects, industry perspectives, databases, relevant software, etc. in the field.

This event is meant to stimulate interactions and discussions, hence speakers are asked to present both about successes and applications that work, as well as areas where still further work is needed, in order to truly develop the field in the future.

Computational Toxicology Job Board

Title and Speaker
10.00Welcome and Introduction to the Day
Andreas Bender, Centre for Molecular Informatics, University of Cambridge and Clinical Pharmacology & Safety Sciences, Data Science & AI, AstraZeneca
 Session 1
10.10Improving Regulatory Acceptance of in Silico Predictions for Toxicity - Where We Are and Where We Could Go (pdf)
Mark Cronin, Liverpool John Moores University
10.35Predicting Efficacy and Toxicity of Immune Checkpoint Inhibitors
Daniele Biasci, MRC Toxicology Unit, Cambridge University
11.00Towards Improved Safety and Efficacy Profiles of Compounds by Predicting In Vivo Pharmacokinetics using Machine Learning (pdf)
Olga Obrezanova, Clinical Pharmacology & Safety Sciences, Data Science & AI, AstraZeneca
11.25Flash Poster Session 1
 Experiences of predicting acute toxicity in industry (poster pdf, slides pdf)
Richard Marchese-Robinson, Syngenta
 Chemical Representation Learning for Toxicity Prediction (pdf, recording)
Jannis Born, ETH Zurich
 Can we determine thresholds of developmental adversity in thyroid hormone signalling using mathematical modelling?
Terence Allen, Liverpool John Moores University
 Developmental Toxicity: A Difficult End-Point to Model
Prashant Kharkar, ICT Mumbai
 Developing Federated QSAR models for secondary pharmacology (pdf)
Jeffrey Plante, Lhasa Ltd.
 In Silico Models to Predict the Disturbance of Thyroid Hormone Homeostasis (pdf)
Marina Garcia de Lomana, BASF and Vienna University
 Gene Co-expression analysis in Toxicogenomics (pdf)
Danilo Basili, Centre for Molecular Informatics, University of Cambridge
12.00Lunch Break
 Session 2
12.30How Drugs Interact with our Bugs
Kiran Patil, MRC Toxicology Unit
12.55The Role of in Silico Toxicology to Meet the Challenge of Vertebrate-Free Safety assessments for Agrochemicals (pdf)
Richard Currie/Sarah Whalley, Syngenta
13.15The Role of Bioinformatics in Predicting Human Health Hazards for Agrochemicals (pdf)
Richard Currie/Sarah Whalley, Syngenta
13.45Evaluating New Approach Methodologies for Consumer-Based Risk Assessment: Challenges and Future Perspectives
Alistair Middleton, Unilever SEAC
14.10Linking Evidence With AOPs To Produce Integrated Approaches to Testing and Assessment (IATA): The Theory And The Practice (pdf)
Alex Cayley, Lhasa Ltd.
14.35Flash Poster Session 2
 Imputation of in vitro troxicity data (poster pdf, slides pdf)
Moritz Walter, University of Sheffield
 Damage and toxicity in our DNA: mapping abasic sites at base resolution (pdf)
Sergio Martinez Cuesta, Cancer Research UK Cambridge Institute
 In silico approaches in organ toxicity hazard assessment: current status and future needs (pdf)
Arianna Bassan, Innovatune
 Predicting adverse effects of compounds based on high content imaging of cells (pdf)
Ola Spjuth, Uppsala University
 A cheminformatics read-across workflow for UVCB with a constituent-based approach (pdf)
Elena Fioravanzo, Toxnavigation
 Toxicity data curation of approved drugs in ChEMBL (pdf)
Fiona Hunter, European Bioinformatics Institute
 Deriving parameters from cardiomyocyte calcium transient in human-induced pluripotent stem cell-derived cardiomyocytes and its a (pdf)
Hongbin Yang, Centre for Molecular Informatics, University of Cambridge
15.10Tea Break
 Session 3
15.30The Use of Pre-Clinical Data Standardisation (pdf)
Phil Drew, PDS Consultants
15.55Identifying Potential Biomarkers of Drug-Induced Vascular Injury (DIVI) in Rats from Gene Expression and Histopathology Data
Anika Liu, Centre for Molecular Informatics, University of Cambridge
16.20Evaluating Chemical Safety Using High-Throughput Transcriptomics
Imran Shah, Environmental Protection Agency (EPA)
16.45Flash Poster Session 3
 OpenDMPK: an open source toolkit for prediction of Drug Metabolism and Pharmacokinetic Properties (pdf)
Suman Sirimulla, University of Texas at El Paso
 Grouping based on composition of mixture
Mihir Date, Research Institute for Fragrance Materials
 Structure-Based Predictions of CYP Selectivity, Reactivity, and Sites of Metabolism (pdf)
Michael Drummond, Chemical Computing Group
 Large-scale Prediction of Acute Toxicity using Multi-Task Deep Learning not presenting
Sankalp Jain, NIH/NCATS
 Using cellular morphological features to predict cytotoxicity- and proliferation-related in vitro endpoints
Srijit Seal, Centre for Molecular Informatics, University of Cambridge
 In silico methods for skin senstization, trends and future possibilities
Svava Osk Jonsdottir, insilTox
 Machine Learning and AI for Predicting hERG Channel Inhibition in the Big Data Era not presenting
Vishal Babu Siramshetty, NIH/NCATS
17.30Summary and Conference Close

Any questions about the event or you are working in the predictive toxicology field and would like to present on the next occasion?
Please contact Andreas Bender, thanks a lot! -Andreas